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N-Desmethyl Vandetanib-[13C6]

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N-Desmethyl Vandetanib-[13C6]

Name: N-Desmethyl Vandetanib-[13C6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-002481
Molecular Formula: C15[13C]6H22BrFN4O2
Molecular Weight: 467.28

Chemical Structure

Description	N-Desmethyl Vandetanib-[13C6], is the labelled analogue of N-Desmethyl Vandetanib, which is a metabolite of Vandetanib. Vandetanib is an antitumor drug used for the treatment of medullary thyroid cancer. Vandetanib effects through inhibiting vascular endothelial growth factor receptor-2 (VEGFR), epidermal growth factor receptor (EGFR) and the RET-tyrosine kinase activity.
Synonyms	Demethyl Vandetanib 13C6
IUPAC Name	N-(4-bromo-2-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
Related CAS	338992-12-4 (unlabelled)
Canonical SMILES	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCNCC4
InChI	InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)/i2+1,3+1,8+1,14+1,16+1,17+1
InChI Key	HTCPERSEGREUFC-JWOGNLLNSA-N
Purity	> 98%